3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide

C12H9ClN6O2 — CID 2163470

IUPAC3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C12H9ClN6O2/c1-6-9(11(20)14-12-15-18-19-16-12)10(17-21-6)7-4-2-3-5-8(7)13/h2-5H,1H3,(H2,14,15,16,18,19,20)
InChIKeyCHEKFYPJASNLLS-UHFFFAOYSA-N
MW304.70 g/mol
LogP2.07
Rot. Bonds3

About 3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide (PubChem CID 2163470) has the molecular formula C12H9ClN6O2 and a molecular weight of 304.70 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide
PubChem CID2163470
Molecular FormulaC12H9ClN6O2
Molecular Weight304.70 g/mol
Exact Mass304.05
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C12H9ClN6O2/c1-6-9(11(20)14-12-15-18-19-16-12)10(17-21-6)7-4-2-3-5-8(7)13/h2-5H,1H3,(H2,14,15,16,18,19,20)
InChIKeyCHEKFYPJASNLLS-UHFFFAOYSA-N
XLogP2.07
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide (CID 2163470) is 3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nn[nH]n1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is CHEKFYPJASNLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN6O2/c1-6-9(11(20)14-12-15-18-19-16-12)10(17-21-6)7-4-2-3-5-8(7)13/h2-5H,1H3,(H2,14,15,16,18,19,20).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 304.70 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2163470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).